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	hartrees
Energy at 0K	-186.829469
Energy at 298.15K
HF Energy	-186.829469
Nuclear repulsion energy	92.728582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3236	3236	5.81	76.48	0.59	0.74
2	A'	3114	3114	15.09	79.32	0.15	0.27
3	A'	2393	2393	41.45	156.52	0.29	0.44
4	A'	1752	1752	43.08	46.91	0.23	0.37
5	A'	1522	1522	15.65	23.25	0.47	0.64
6	A'	1251	1251	9.68	3.88	0.75	0.86
7	A'	973	973	6.51	0.86	0.08	0.14
8	A'	652	652	4.33	2.17	0.29	0.44
9	A'	257	257	6.41	8.57	0.56	0.72
10	A"	1117	1117	20.39	0.24	0.75	0.86
11	A"	793	793	2.34	6.43	0.75	0.86
12	A"	392	392	9.46	0.61	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.078	-1.537
N2	-0.630	-0.482
C3	0.000	0.709
N4	0.459	1.766
H5	-0.439	-2.493
H6	1.169	-1.533

	C1	N2	C3	N4	H5	H6
C1		1.2704	2.2477	3.3249	1.0863	1.0912
N2	1.2704		1.3479	2.4982	2.0197	2.0835
C3	2.2477	1.3479		1.1521	3.2320	2.5285
N4	3.3249	2.4982	1.1521		4.3523	3.3742
H5	1.0863	2.0197	3.2320	4.3523		1.8724
H6	1.0912	2.0835	2.5285	3.3742	1.8724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	118.258	N2	C1	H5	117.750
N2	C1	H6	123.646	N2	C3	N4	175.616
H5	C1	H6	118.604

All results from a given calculation for H₂CNCN (cyanamide, methylene)

using model chemistry: M06-2X/6-311G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.216
2	N	-0.263
3	C	0.283
4	N	-0.298
5	H	0.253
6	H	0.242

	x	y	z	Total
	0.504	-4.389	0.000	4.418
CHELPG
AIM
ESP

	x	y	z
x	3.627	0.374	0.000
y	0.374	7.763	0.000
z	0.000	0.000	2.315

<r²>	69.670
(<r²>)^1/2	8.347

All results from a given calculation for H2CNCN (cyanamide, methylene)

using model chemistry: M06-2X/6-311G*

States and conformations

All results from a given calculation for H₂CNCN (cyanamide, methylene)